| CAS Number | 88818-88-6 |
| Catalog Number | AG01AFIB(AGN-PC-0OLY9H) |
| Chemical Name | 5-Bromo-2-methoxy-6-methylpyridine-3-carbonitrile |
| IUPAC Name | 5-bromo-2-methoxy-6-methylpyridine-3-carbonitrile |
| InChI | InChI=1S/C8H7BrN2O/c1-5-7(9)3-6(4-10)8(11-5)12-2/h3H,1-2H3 |
| InChI Key | IWJZPWKNDAUYIO-UHFFFAOYSA-N |
| MDL Number | MFCD27500891 |
| Molecular Formula | C8H7BrN2O |
| Molecular Weight | 227.0580 |
| SMILES | BrC=1C=C(C(=NC1C)OC)C#N |
| Synonyms | 5-bromo-2-methoxy-6-methylnicotinonitrile,
5-bromo-2-methoxy-6-methylpyridine-3-carbonitrile,
88818-88-6,
BB_SC-11980,
BBL035154,
STL426160,
ZINC82293685,
AKOS022656052,
FCH2492046,
EN300-153941,
AO-022/43513503,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.061g/mol |
| Monoisotopic Mass | 225.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number